N'-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide

C11H15N5O3S2 — CID 2683734

IUPACN'-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
SMILESCc1nc(CC(=O)NNS(=O)(=O)c2c(C)n[nH]c2C)cs1
InChIInChI=1S/C11H15N5O3S2/c1-6-11(7(2)14-13-6)21(18,19)16-15-10(17)4-9-5-20-8(3)12-9/h5,16H,4H2,1-3H3,(H,13,14)(H,15,17)
InChIKeyFYTCXVUTOAIULQ-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.34
Rot. Bonds5

About N'-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide

N'-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide (PubChem CID 2683734) has the molecular formula C11H15N5O3S2 and a molecular weight of 329.41 g/mol. Its IUPAC name is N'-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
PubChem CID2683734
Molecular FormulaC11H15N5O3S2
Molecular Weight329.41 g/mol
Exact Mass329.06
IUPAC NameN'-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
SMILESCc1nc(CC(=O)NNS(=O)(=O)c2c(C)n[nH]c2C)cs1
InChIInChI=1S/C11H15N5O3S2/c1-6-11(7(2)14-13-6)21(18,19)16-15-10(17)4-9-5-20-8(3)12-9/h5,16H,4H2,1-3H3,(H,13,14)(H,15,17)
InChIKeyFYTCXVUTOAIULQ-UHFFFAOYSA-N
XLogP0.34
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 43546767
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 43546789
3,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 54913797
3,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61286186
N,3,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61817555
3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 63241322
3,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 64485411
N,5-dimethyl-3-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 65787165
3-(aminomethyl)-N,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 65787941
3-(aminomethyl)-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 65790589
3-(ethylaminomethyl)-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 65790970
5-methyl-3-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 65790971

Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide?
The IUPAC name of N'-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide (CID 2683734) is N'-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide.
What is the SMILES notation for N'-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide?
The canonical SMILES for N'-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide is Cc1nc(CC(=O)NNS(=O)(=O)c2c(C)n[nH]c2C)cs1.
What is the InChIKey of N'-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide?
The InChIKey is FYTCXVUTOAIULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S2/c1-6-11(7(2)14-13-6)21(18,19)16-15-10(17)4-9-5-20-8(3)12-9/h5,16H,4H2,1-3H3,(H,13,14)(H,15,17).
What are the key properties of N'-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide?
N'-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide has a molecular weight of 329.41 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide is sourced from PubChem (CID 2683734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).